7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

C12H23NO3 — CID 56984381

IUPAC7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCOC12COC(C(C)C)N1C(C(C)C)OC2
InChIInChI=1S/C12H23NO3/c1-8(2)10-13-11(9(3)4)16-7-12(13,14-5)6-15-10/h8-11H,6-7H2,1-5H3
InChIKeyQSOCUHMBMYSPIE-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.66
Rot. Bonds3

About 7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 56984381) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID56984381
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESCOC12COC(C(C)C)N1C(C(C)C)OC2
InChIInChI=1S/C12H23NO3/c1-8(2)10-13-11(9(3)4)16-7-12(13,14-5)6-15-10/h8-11H,6-7H2,1-5H3
InChIKeyQSOCUHMBMYSPIE-UHFFFAOYSA-N
XLogP1.66
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of 7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 56984381) is 7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for 7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for 7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is COC12COC(C(C)C)N1C(C(C)C)OC2.
What is the InChIKey of 7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is QSOCUHMBMYSPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(2)10-13-11(9(3)4)16-7-12(13,14-5)6-15-10/h8-11H,6-7H2,1-5H3.
What are the key properties of 7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 229.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methoxy-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 56984381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).